HRID189201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID571846

4-(Trifluoromethoxy)benzylamine

C8H8F3NO

HCID59512232

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Br)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2

HCID11560384

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c01bf1e52e0c43f7896170ae7839dfe3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][O:2][C:3]([c:4]1[c:5]([CH2:12][Br:13])[cH:6][c:7]([Br:11])[cH:8][c:9]1[CH3:10])=[O:14].[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52].[F:15][C:16]([O:17][c:18]1[cH:19][cH:20][c:21]([CH2:22][NH2:23])[cH:24][cH:25]1)([F:26])[F:27].[K+:28].[K+:29].[O-:30][C:31]([O-:32])=[O:33]>>[C:3]1(=[O:14])[c:4]2[c:5]([cH:6][c:7]([Br:11])[cH:8][c:9]2[CH3:10])[CH2:12][N:23]1[CH2:22][c:21]1[cH:20][cH:19][c:18]([O:17][C:16]([F:15])([F:26])[F:27])[cH:25][cH:24]1